Reaction Details Report a problem with these data
Target
Tyrosine-protein kinase JAK2
Ligand
BDBM198512
Substrate
n/a
Meas. Tech.
Enzyme Assay
pH
7.5±n/a
IC50
97±n/a nM
Citation
 Hayashi, K; Watanabe, T; Toyama, K; Kamon, J; Minami, M; Uni, M; Nasu, M Substituted pyrrolo[2,3-h][1,6]naphthyridines and compositions thereof as JAK inhibitors US Patent  US9216999 Publication Date 12/22/2015 
Target
Name:
Tyrosine-protein kinase JAK2
Synonyms:
JAK-2 | JAK2 | JAK2_HUMAN | Janus kinase 2 | Janus kinase 2 (JAK2) | Janus kinase 2 (a protein tyrosine kinase)
Type:
Protein
Mol. Mass.:
130684.68
Organism:
Homo sapiens (Human)
Description:
O60674
Residue:
1132
Sequence:
MGMACLTMTEMEGTSTSSIYQNGDISGNANSMKQIDPVLQVYLYHSLGKSEADYLTFPSGEYVAEEICIAASKACGITPVYHNMFALMSETERIWYPPNHVFHIDESTRHNVLYRIRFYFPRWYCSGSNRAYRHGISRGAEAPLLDDFVMSYLFAQWRHDFVHGWIKVPVTHETQEECLGMAVLDMMRIAKENDQTPLAIYNSISYKTFLPKCIRAKIQDYHILTRKRIRYRFRRFIQQFSQCKATARNLKLKYLINLETLQSAFYTEKFEVKEPGSGPSGEEIFATIIITGNGGIQWSRGKHKESETLTEQDLQLYCDFPNIIDVSIKQANQEGSNESRVVTIHKQDGKNLEIELSSLREALSFVSLIDGYYRLTADAHHYLCKEVAPPAVLENIQSNCHGPISMDFAISKLKKAGNQTGLYVLRCSPKDFNKYFLTFAVERENVIEYKHCLITKNENEEYNLSGTKKNFSSLKDLLNCYQMETVRSDNIIFQFTKCCPPKPKDKSNLLVFRTNGVSDVPTSPTLQRPTHMNQMVFHKIRNEDLIFNESLGQGTFTKIFKGVRREVGDYGQLHETEVLLKVLDKAHRNYSESFFEAASMMSKLSHKHLVLNYGVCVCGDENILVQEFVKFGSLDTYLKKNKNCINILWKLEVAKQLAWAMHFLEENTLIHGNVCAKNILLIREEDRKTGNPPFIKLSDPGISITVLPKDILQERIPWVPPECIENPKNLNLATDKWSFGTTLWEICSGGDKPLSALDSQRKLQFYEDRHQLPAPKWAELANLINNCMDYEPDFRPSFRAIIRDLNSLFTPDYELLTENDMLPNMRIGALGFSGAFEDRDPTQFEERHLKFLQQLGKGNFGSVEMCRYDPLQDNTGEVVAVKKLQHSTEEHLRDFEREIEILKSLQHDNIVKYKGVCYSAGRRNLKLIMEYLPYGSLRDYLQKHKERIDHIKLLQYTSQICKGMEYLGTKRYIHRDLATRNILVENENRVKIGDFGLTKVLPQDKEYYKVKEPGESPIFWYAPESLTESKFSVASDVWSFGVVLYELFTYIEKSKSPPAEFMRMIGNDKQGQMIVFHLIELLKNNGRLPRPDGCPDEIYMIMTECWNNNVNQRPSFRDLALRVDQIRDNMAG
  
Inhibitor
Name:
BDBM198512
Synonyms:
US9216999, 309 | US9556187, Example 309
Type:
Small organic molecule
Emp. Form.:
C26H28ClF3N6O
Mol. Mass.:
532.988
SMILES:
OC1(CCN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)CC1)c1ccc(Cl)c(c1)C(F)(F)F |r,wU:9.12,wD:6.5,(3.5,4.02,;2.41,2.93,;1.32,1.84,;-.17,2.24,;-.57,3.73,;-2.05,4.13,;-3.14,3.04,;-4.63,3.44,;-5.72,2.35,;-5.32,.86,;-3.83,.46,;-2.74,1.55,;-6.41,-.23,;-7.94,-.07,;-8.57,-1.48,;-7.42,-2.51,;-7.42,-4.05,;-6.09,-4.82,;-4.76,-4.05,;-3.29,-4.52,;-2.39,-3.28,;-3.29,-2.03,;-4.76,-2.51,;-6.09,-1.74,;.52,4.82,;2.01,4.42,;3.18,1.6,;2.41,.26,;3.18,-1.07,;4.72,-1.07,;5.49,-2.4,;5.49,.26,;4.72,1.6,;7.03,.26,;7.8,-1.07,;7.8,1.6,;8.57,.26,)|
Structure:
Search PDB for entries with ligand similarity: